Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-
TL;DR: Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- (CAS 95327-31-4) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ylmethyl)isoindole-1,3-dione
Also Known As: 2-(azepan-1-ylmethyl)isoindole-1,3-dione, N-((Hexahydro-1H-azepin-1-yl)methyl)phthalimide, Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-, 5-21-10-00374 (Beilstein Handbook Reference), 1h-isoindole-1,3(2h)-dione, 2-[(hexahydro-1h-azepin-1-yl)methyl]-
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 95327-31-4 |
|---|---|
| SMILES | C1CCCN(CC1)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | GXLXIJHZQVPFHO-UHFFFAOYSA-N |
Product Overview
Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- (CAS 95327-31-4), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 2-(azepan-1-ylmethyl)isoindole-1,3-dione.
Chemical Property Profile of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-
Property Insights of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-?
The CAS number of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- is 95327-31-4.
What is the molecular formula of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-?
The molecular formula of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- is C15H18N2O2.
What is the molecular weight of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-?
The molecular weight of Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- is 258.14 g/mol.
Where can I buy Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-?
You can request a quote for Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phthalimide, N-((hexahydro-1H-azepin-1-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.